chlange/FuelRamanSpectraBenchtop

该数据集包含用于分析和预测商业燃料样品（汽油）关键参数的拉曼光谱。它包括来自不同炼油厂的179个燃料样品的光谱。数据集设计用于训练模型，如偏最小二乘（PLS）回归，以快速简便地确定关键燃料特性，如研究辛烷值（RON）和含氧添加剂含量，而无需耗时的标准实验室程序。与手持系统相比，来自台式仪器的数据显示出更高的分辨率，通常能带来更准确和精确的预测。数据可用于单目标（PLS-1）或同时多目标（PLS-2）预测模型。目标参数包括研究辛烷值（RON）、马达辛烷值（MON）、乙醇含量（%）、乙基叔丁基醚（ETBE）、甲基叔丁基醚（MTBE）、15°C下的密度、水含量、含氧化合物含量、氧含量、烯烃含量、芳烃含量和苯含量。拉曼光谱使用台式NXR FT-Raman光谱仪记录。

This dataset contains Raman spectra for the analysis and prediction of key parameters in commercial fuel samples (gasoline). It includes spectra of 179 fuel samples from various refineries. The dataset is designed for training models, such as Partial Least Squares (PLS) regression, to quickly and easily determine critical fuel characteristics like the Research Octane Number (RON) and the content of oxygenated additives, without the need for time-consuming standard laboratory procedures. The data from the benchtop instrument showed higher resolution and generally led to more accurate and precise predictions compared to the handheld system. The data can be used for single-target (PLS-1) or simultaneous multi-target (PLS-2) prediction models. Target parameters include Research Octane Number (RON), Motor Octane Number (MON), Ethanol Content (%), Ethyl Tert-Butyl Ether (ETBE), Methyl Tert-Butyl Ether (MTBE), Density at 15°C, Water Content, Oxygenates Content, Oxygen Content, Olefins Content, Aromatics Content, and Benzene Content. Raman spectra were recorded using a benchtop NXR FT-Raman spectrometer.